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Xe-129 NMR chemical shift in Xe@C-60 calculated at experimental conditions: Essential role of the relativity, dynamics, and explicit solvent

SYSNO	0394735
Title	Xe-129 NMR chemical shift in Xe@C-60 calculated at experimental conditions: Essential role of the relativity, dynamics, and explicit solvent
Author(s)	Standara, Stanislav (UOCHB-X) [810/81] Kulhánek, P. (CZ) Marek, R. (CZ) Straka, Michal (UOCHB-X) [810/81]_{RID, ORCID}
Source Title	Journal of Computational Chemistry. Roč. 34, č. 22 (2013), s. 1890-1898. - : Wiley
Document Type	Článek v odborném periodiku
Grant	GA203/09/2037 GA ČR - Czech Science Foundation (CSF)
	GA13-03978S GA ČR - Czech Science Foundation (CSF)
	FP7-286154, XE - EU countries
	CZ.1.05/1.1.00/02.0068, XE - EU countries
	CZ.1.05/3.2.00/08.0144, XE - EU countries
Institutional support	UOCHB-X - RVO:61388963
Language	eng
Country	US
Keywords	Xe-129 NMR * Xe@C-60 * dynamical averaging * explicit solvent * relativistic effects
Cooperating institutions	Masarykova univerzita Brno, CEITEC (Czech Republic) Masarykova univerzita Brno (Czech Republic)
Permanent Link	http://hdl.handle.net/11104/0223099

Number of the records: 1